MolPort-001-792-494

Synopsis, Chemistry

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Also known as: 609-06-3, L-(-)-xylose, L(+)-xylose, Aldehydo-l-xylose, L-xylo-pentose, Xylose, l-

Molecular Formula

C₅H₁₀O₅

Molecular Weight

150.13 g/mol

InChI Key

PYMYPHUHKUWMLA-WISUUJSJSA-N

FDA UNII

A4JW0V2MYA

aldehydo-L-Xylose is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

MolPort-001-792-494

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal

2.1.2 InChI

InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1

2.1.3 InChI Key

PYMYPHUHKUWMLA-WISUUJSJSA-N

2.1.4 Canonical SMILES

C(C(C(C(C=O)O)O)O)O

2.1.5 Isomeric SMILES

C([C@@H]([C@H]([C@@H](C=O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

A4JW0V2MYA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 609-06-3

2. L-(-)-xylose

3. L(+)-xylose

4. Aldehydo-l-xylose

5. L-xylo-pentose

6. Xylose, L-

7. L-xyl

8. A4jw0v2mya

9. Mfcd00151096

10. L(-)-xylose

11. Linear L-xylose

12. Nsc-26213

13. Einecs 210-174-1

14. Nsc 26213

15. Unii-a4jw0v2mya

16. Schembl59766

17. Gtpl4720

18. Chebi:17979

19. Dtxsid50883340

20. 25990-60-7

21. L-(-)-xylose, Mixture Of Anomers

22. Zinc8552145

23. S5830

24. Akos024437975

25. Am83960

26. Cs-w009191

27. Ac-30677

28. Hy-78139

29. X0021

30. L-(-)-xylose, Mixture Of Anomers, >=99%

31. H10761

32. A833906

33. Q27082478

34. 52e637a7-1509-4d9b-bf82-19c9c5a6b38b

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀O₅
Molecular Weight	150.13 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	150.05282342 g/mol
Monoisotopic Mass	150.05282342 g/mol
Topological Polar Surface Area	98 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1